Detailed information for compound 1375289

Basic information

Technical information
  • TDR Targets ID: 1375289
  • Name: (E)-3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)in dol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
  • MW: 394.53 | Formula: C23H26N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(Cn1cc(c2c1cccc2)/C=C/C(=O)c1cccs1)CN1CCCCC1
  • InChi: 1S/C23H26N2O2S/c26-19(16-24-12-4-1-5-13-24)17-25-15-18(20-7-2-3-8-21(20)25)10-11-22(27)23-9-6-14-28-23/h2-3,6-11,14-15,19,26H,1,4-5,12-13,16-17H2/b11-10+
  • InChiKey: VKEYFMSDOKCVMT-ZHACJKMWSA-N  

Network

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Synonyms

  • (E)-3-[1-[2-hydroxy-3-(1-piperidyl)propyl]indol-3-yl]-1-(2-thienyl)prop-2-en-1-one
  • (E)-3-[1-[2-hydroxy-3-(1-piperidyl)propyl]-3-indolyl]-1-(2-thienyl)prop-2-en-1-one
  • (E)-3-[1-(2-hydroxy-3-piperidino-propyl)indol-3-yl]-1-(2-thienyl)prop-2-en-1-one
  • (E)-3-[1-(2-hydroxy-3-piperidin-1-yl-propyl)indol-3-yl]-1-thiophen-2-yl-prop-2-en-1-one
  • SMR000221317
  • AE-848/42799020
  • (E)-3-[1-(2-Hydroxy-3-piperidin-1-yl-propyl)-1H-indol-3-yl]-1-thiophen-2-yl-propenone
  • MLS000331807

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens troponin I type 3 (cardiac) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens thyrotropin-releasing hormone receptor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens troponin C type 1 (slow) Starlite/ChEMBL No references
Homo sapiens troponin T type 2 (cardiac) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) troponin Get druggable targets OG5_129858 All targets in OG5_129858
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Troponin T, skeletal muscle, putative Get druggable targets OG5_129858 All targets in OG5_129858
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129858 All targets in OG5_129858
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Troponin T Get druggable targets OG5_129858 All targets in OG5_129858
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus thyrotropin releasing hormone receptor Get druggable targets OG5_133661 All targets in OG5_133661
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Troponin T Get druggable targets OG5_129858 All targets in OG5_129858
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus troponin i Get druggable targets OG5_132708 All targets in OG5_132708
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Troponin family protein Get druggable targets OG5_132708 All targets in OG5_132708
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 Get druggable targets OG5_129858 All targets in OG5_129858
Schistosoma mansoni troponin t invertebrate Get druggable targets OG5_129858 All targets in OG5_129858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis thyrotropin releasing hormone receptor Get druggable targets OG5_133661 All targets in OG5_133661
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus oncosphere protein Tso22e Get druggable targets OG5_129858 All targets in OG5_129858
Schistosoma mansoni troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Echinococcus multilocularis troponin i Get druggable targets OG5_132708 All targets in OG5_132708
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_132708 All targets in OG5_132708
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132708 All targets in OG5_132708
Schistosoma mansoni troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Schistosoma japonicum IPR001978,Troponin,domain-containing Get druggable targets OG5_132708 All targets in OG5_132708
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) troponin T Get druggable targets OG5_129858 All targets in OG5_129858
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_132708 All targets in OG5_132708
Brugia malayi hypothetical protein Get druggable targets OG5_129858 All targets in OG5_129858
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Troponin I Get druggable targets OG5_132708 All targets in OG5_132708
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132708 All targets in OG5_132708
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Troponin T, skeletal muscle homolog Get druggable targets OG5_129858 All targets in OG5_129858
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Get druggable targets OG5_133661 All targets in OG5_133661
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Troponin T, skeletal muscle homolog Get druggable targets OG5_129858 All targets in OG5_129858
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Troponin T Get druggable targets OG5_129858 All targets in OG5_129858
Schistosoma japonicum Troponin I 4, putative Get druggable targets OG5_132708 All targets in OG5_132708
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni thyrotropin-releasing hormone receptor Get druggable targets OG5_133661 All targets in OG5_133661
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Troponin I homolog Get druggable targets OG5_132708 All targets in OG5_132708

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi larval opioid receptor thyrotropin-releasing hormone receptor 398 aa 324 aa 23.5 %
Plasmodium falciparum centrin-3 troponin C type 1 (slow) 161 aa 148 aa 33.1 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi RNA binding protein 0.0062 0.1626 0.3985
Brugia malayi TAR-binding protein 0.0062 0.1626 0.3985
Loa Loa (eye worm) troponin 0.0076 0.216 0.5295
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0059 0.0144
Echinococcus multilocularis lamin dm0 0.0033 0.0553 0.0497
Echinococcus granulosus geminin 0.0166 0.5417 0.539
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1626 0.1576
Schistosoma mansoni troponin I 0.0129 0.4079 0.4044
Echinococcus multilocularis musashi 0.0033 0.0553 0.0497
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1564 0.3834
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2044 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0867 0.0813
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1626 0.3985
Loa Loa (eye worm) troponin I 0.0129 0.4079 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0291 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0059 0.0144
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1626 0.1576
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0291 1 1
Echinococcus granulosus lamin 0.0033 0.0553 0.0497
Echinococcus multilocularis lamin 0.0033 0.0553 0.0497
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0553 0.1356
Loa Loa (eye worm) RNA binding protein 0.0062 0.1626 0.3985
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2044 0.5
Echinococcus multilocularis oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 0.016 0.5214 0.5185
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1626 0.3985
Brugia malayi Troponin family protein 0.0129 0.4079 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.216 0.5295
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2044 0.1997
Loa Loa (eye worm) hypothetical protein 0.0033 0.0553 0.1356
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1564 0.3834
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1626 0.1576
Loa Loa (eye worm) hypothetical protein 0.0019 0.0059 0.0144
Brugia malayi Troponin T 0.0076 0.216 0.5295
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1626 0.1576
Loa Loa (eye worm) hypothetical protein 0.0129 0.4079 1
Brugia malayi Troponin T 0.0076 0.216 0.5295
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0059 0.0144
Echinococcus multilocularis troponin i 0.0129 0.4079 0.4044
Loa Loa (eye worm) hypothetical protein 0.0129 0.4079 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0867 0.2126
Brugia malayi Troponin I 0.0129 0.4079 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1626 0.1576
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2044 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2044 0.1997
Brugia malayi Troponin T 0.0076 0.216 0.5295
Loa Loa (eye worm) hypothetical protein 0.0032 0.0531 0.1303
Brugia malayi intermediate filament protein 0.0033 0.0553 0.1356
Echinococcus multilocularis geminin 0.0166 0.5417 0.539
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0076 0.216 0.3448
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2044 0.1997
Schistosoma mansoni hypothetical protein 0.0129 0.4079 0.4044
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1626 0.1576
Schistosoma mansoni troponin I 0.0129 0.4079 0.4044
Schistosoma mansoni troponin t invertebrate 0.016 0.5214 0.5185
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1564 0.3834
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.016 0.5214 1
Schistosoma mansoni hypothetical protein 0.0166 0.5417 0.539
Echinococcus granulosus lamin dm0 0.0033 0.0553 0.0497
Schistosoma mansoni intermediate filament proteins 0.0033 0.0553 0.0497
Onchocerca volvulus Troponin I homolog 0.0129 0.4079 0.7566
Schistosoma mansoni hypothetical protein 0.0166 0.5417 0.539
Schistosoma mansoni lamin 0.0033 0.0553 0.0497
Schistosoma mansoni troponin I 0.0129 0.4079 0.4044
Echinococcus granulosus troponin i 0.0129 0.4079 0.4044
Echinococcus granulosus intermediate filament protein 0.0033 0.0553 0.0497
Loa Loa (eye worm) hypothetical protein 0.006 0.1564 0.3834
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0553 0.1356
Echinococcus granulosus oncosphere protein Tso22e 0.016 0.5214 0.5185
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2044 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0553 0.1356
Echinococcus granulosus tar DNA binding protein 0.0062 0.1626 0.1576
Loa Loa (eye worm) troponin T 0.0076 0.216 0.5295
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0867 0.2126
Schistosoma mansoni troponin I 0.0129 0.4079 0.4044
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2044 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1626 0.3985
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2044 0.1997
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2044 0.5
Schistosoma mansoni lamin 0.0033 0.0553 0.0497
Brugia malayi hypothetical protein 0.0076 0.216 0.5295

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 17.936 uM PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for activators of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493008, AID493018, AID504382, AID504383] ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 18.3564 uM PUBCHEM_BIOASSAY: qHTS for Small Molecule Agonists and Allosteric Enhancers of Human TRH Receptor: Confirmation Screen for Agonists. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485365, AID493056] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

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